Atomic Simulation Interface (ASI): application programming interface for electronic structure codes. - Stishenko, Pavel V.; Keal, Thomas W.; Woodley, Scott M.; Blum, Volker; Hourahine, Benjamin; Maurer, Reinhard Johann; Logsdail, Andrew J. (J. Open Source Softw., 2023)

GPU-acceleration of the ELPA2 distributed eigensolver for dense symmetric and hermitian eigenproblems. - Yu, Victor Wen-zhe; Moussa, Jonathan; Kus, Pavel; Marek, Andreas; Messmer, Peter; Yoon, Mina; Lederer, Hermann; Blum, Volker (Comput. Phys. Commun., 2021)

GIMS: Graphical Interface for Materials Simulations. - Kokott, Sebastian; Hurtado, Iker; Vorwerk, Christian; Draxl, Claudia; Blum, Volker; Scheffler, Matthias (J. Open Source Softw., 2021)

GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions. - Huhn, William P.; Lange, Björn; Yu, Victor Wen-zhe; Yoon, Mina; Blum, Volker (Comput. Phys. Commun., 2020)

ELSI - An open infrastructure for electronic structure solvers. - Yu, Victor Wen-zhe; Campos, Carmen; Dawson, William; García, Alberto; Havu, Ville; Hourahine, Ben; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Keçeli, Murat; Laasner, Raul; Li, Yingzhou; et al. (Comput. Phys. Commun., 2020)

MatD^3^: A Database and Online Presentation Package for Research Data Supporting Materials Discovery, Design, and Dissemination. - Laasner, Raul; Du, Xiaochen; Tanikanti, Aditya; Clayton, Connor; Govoni, Marco; Galli, Giulia; Ropo, Matti; Blum, Volker (J. Open Source Softw., 2020)

ELSI: A unified software interface for Kohn-Sham electronic structure solvers. - Yu, Victor Wen-zhe; Corsetti, Fabiano; García, Alberto; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Lange, Björn; Lin, Lin; Lu, Jianfeng; Mi, Wenhui; Seifitokaldani, Ali; Vázquez-Mayagoitia, Álvaro; et al. (Comput. Phys. Commun., 2018)

All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals. - Knuth, Franz; Carbogno, Christian; Atalla, Viktor; Blum, Volker; Scheffler, Matthias (Comput. Phys. Commun., 2015)

Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework. - Levchenko, Sergey V.; Ren, Xinguo; Wieferink, Jürgen; Johanni, Rainer; Rinke, Patrick; Blum, Volker; Scheffler, Matthias (Comput. Phys. Commun., 2015)

First-Principles Molecular Structure Search with a Genetic Algorithm. - Supady, Adriana; Blum, Volker; Baldauf, Carsten (J. Chem. Inf. Model., 2015)

Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations. - Auckenthaler, Thomas; Blum, Volker; Bungartz, Hans-Joachim; Huckle, Thomas; Johanni, Rainer; Krämer, Lukas; Lang, Bruno; Lederer, Hermann; Willems, Paul R. (Parallel Comput., 2011)

Ab initio molecular simulations with numeric atom-centered orbitals. - Blum, Volker; Gehrke, Ralf; Hanke, Felix; Havu, Paula; Havu, Ville; Ren, Xinguo; Reuter, Karsten; Scheffler, Matthias (Comput. Phys. Commun., 2009)

Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions. - Havu, Ville; Blum, Volker; Havu, Paula; Scheffler, Matthias (J. Comput. Phys., 2009)